N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-cyclopropyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-cyclopropyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-cyclopropyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G786-1737 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-cyclopropyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C21 H21 N5 O5 S |
| Smiles: | CN1C(c2c(nc(C3CC3)nc2SCC(NCc2ccc3c(c2)OCO3)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.826 |
| logD: | 2.826 |
| logSw: | -3.3217 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.894 |
| InChI Key: | ZKOFWRXOKZLDOI-UHFFFAOYSA-N |